CID 101080070

[2-(2-isocyanatophenyl)ethynyl]trimethylsilane

Structural Information

Molecular Formula
C12H13NOSi
SMILES
C[Si](C)(C)C#CC1=CC=CC=C1N=C=O
InChI
InChI=1S/C12H13NOSi/c1-15(2,3)9-8-11-6-4-5-7-12(11)13-10-14/h4-7H,1-3H3
InChIKey
MVYUZFUKUUWPFU-UHFFFAOYSA-N
Compound name
2-(2-isocyanatophenyl)ethynyl-trimethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.07664 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08392 151.5
[M+Na]+ 238.06586 161.5
[M-H]- 214.06936 154.8
[M+NH4]+ 233.11046 169.2
[M+K]+ 254.03980 157.3
[M+H-H2O]+ 198.07390 139.4
[M+HCOO]- 260.07484 170.3
[M+CH3COO]- 274.09049 196.4
[M+Na-2H]- 236.05131 156.6
[M]+ 215.07609 147.3
[M]- 215.07719 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.